CAS: 108885-61-6; (1R,3Ar,5Ar,5Br,7Ar,9S,11Ar,11Br,13Ar,13Br)-3A,5A,5B,8,8,11A-Hexamethyl-1-(Prop-1-En-2-yl)Icosahydro-1H-Cyclopenta[a]Chrysen-9-Yl 3-Hydroxyoctadecanoate

• 英文名称(1R,3Ar,5Ar,5Br,7Ar,9S,11Ar,11Br,13Ar,13Br)-3A,5A,5B,8,8,11A-Hexamethyl-1-(Prop-1-En-2-yl)Icosahydro-1H-Cyclopenta[a]Chrysen-9-Yl 3-Hydroxyoctadecanoate
• 中文名称羽扇豆醇 β-羟基硬脂酸酯
• IUPAC名称(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-yl 3-hydroxyoctadecanoate
• 其它别名Lupeol 3-Hydroxyoctadecanoate; (3Beta)-Lup-20(29)-En-3-Ol 3-(3-Hydroxyoctadecanoate); Lupeol Beta-Hydroxyoctadecanoate; Lup-20(29)-En-3-Ol, 3-(3-Hydroxyoctadecanoate), (3β)-; Lupeolβ-Hydroxyoctadecanoate/lupeol3-Hydroxyoctadecanoate
• CAS编号108885-61-6
• MFCD编号:MFCD28975385
• 分子式:C48H84O3分子量:709.2
• 产品CID: 124912
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: ISCGWWWBTBITFA-HQBPQUAZSA-N
• InChI=1S/C48H84O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-36(49)34-42(50)51-41-28-30-46(7)39(44(41,4)5)27-31-48(9)40(46)25-24-38-43-37(35(2)3)26-29-45(43,6)32-33-47(
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数19.0

物理性质

• 沸点713.7±33.0 °C(预测)
• 密度0.99±0.1 g/cm3(预测)
• pKa:14.33±0.20(预测)
• PSA:46.53
• LogP:13.808

MSDS等安全信息

• 危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 安全声明H303+H313+H333

合成工艺路线路线简述

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管